2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane

C11H24N2O — CID 142306561

IUPAC2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC1(C)CCN(C(=O)CN)CC1
InChIInChI=1S/C9H18N2O.C2H6/c1-9(2)3-5-11(6-4-9)8(12)7-10;1-2/h3-7,10H2,1-2H3;1-2H3
InChIKeyIMWGTMFKBASLTE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane

2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane (PubChem CID 142306561) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
PubChem CID142306561
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC1(C)CCN(C(=O)CN)CC1
InChIInChI=1S/C9H18N2O.C2H6/c1-9(2)3-5-11(6-4-9)8(12)7-10;1-2/h3-7,10H2,1-2H3;1-2H3
InChIKeyIMWGTMFKBASLTE-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
CID 142306583
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
4-(4,4-dimethylazepan-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 65283776
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 130681510

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane?
The IUPAC name of 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane (CID 142306561) is 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane.
What is the SMILES notation for 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane?
The canonical SMILES for 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane is CC.CC1(C)CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane?
The InChIKey is IMWGTMFKBASLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6/c1-9(2)3-5-11(6-4-9)8(12)7-10;1-2/h3-7,10H2,1-2H3;1-2H3.
What are the key properties of 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane?
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane has a molecular weight of 200.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane is sourced from PubChem (CID 142306561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).